heptadecyl 2-[(2-fluorobenzoyl)amino]acetate

C26H42FNO3 — CID 6422555

IUPACheptadecyl 2-[(2-fluorobenzoyl)amino]acetate
SMILESCCCCCCCCCCCCCCCCCOC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C26H42FNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-31-25(29)22-28-26(30)23-19-16-17-20-24(23)27/h16-17,19-20H,2-15,18,21-22H2,1H3,(H,28,30)
InChIKeyZHQYGACLHPPHTK-UHFFFAOYSA-N
MW435.62 g/mol
LogP6.97
Rot. Bonds19

About heptadecyl 2-[(2-fluorobenzoyl)amino]acetate

heptadecyl 2-[(2-fluorobenzoyl)amino]acetate (PubChem CID 6422555) has the molecular formula C26H42FNO3 and a molecular weight of 435.62 g/mol. Its IUPAC name is heptadecyl 2-[(2-fluorobenzoyl)amino]acetate.

Molecular Properties

Compound Nameheptadecyl 2-[(2-fluorobenzoyl)amino]acetate
PubChem CID6422555
Molecular FormulaC26H42FNO3
Molecular Weight435.62 g/mol
Exact Mass435.31
IUPAC Nameheptadecyl 2-[(2-fluorobenzoyl)amino]acetate
SMILESCCCCCCCCCCCCCCCCCOC(=O)CNC(=O)c1ccccc1F
InChIInChI=1S/C26H42FNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-31-25(29)22-28-26(30)23-19-16-17-20-24(23)27/h16-17,19-20H,2-15,18,21-22H2,1H3,(H,28,30)
InChIKeyZHQYGACLHPPHTK-UHFFFAOYSA-N
XLogP6.97
TPSA55.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds19
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.62
LogP ≤ 56.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

hexadecyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422554
octyl 2-[(2-fluorobenzoyl)amino]acetate
CID 6422546
3-[2-[(2-fluorobenzoyl)amino]acetyl]oxypropyl 2-[(2-fluorobenzoyl)amino]acetate
CID 18286992
heptyl 2-[[2-(trifluoromethyl)benzoyl]amino]acetate
CID 6424754
tridecyl 2-fluorobenzoate
CID 579690
2-fluoro-N-[2-[2-(4-hexoxybenzoyl)hydrazinyl]-2-oxoethyl]benzamide
CID 24540215
decyl 2-[(2-fluorobenzoyl)-methylamino]acetate
CID 91711916
[2-(2-fluorophenyl)-2-oxoethyl] 2-[(4-butoxybenzoyl)amino]acetate
CID 7885788
(3,3-dimethyl-2-oxobutyl) 2-[(2-fluorobenzoyl)amino]acetate
CID 9270451
hexyl 3-[(2-methylbenzoyl)amino]propanoate
CID 91710225
decyl 3-[(2-chlorobenzoyl)amino]propanoate
CID 91716594
dodecyl 3-[(2-methylbenzoyl)amino]propanoate
CID 91710231

Frequently Asked Questions

What is the IUPAC name of heptadecyl 2-[(2-fluorobenzoyl)amino]acetate?
The IUPAC name of heptadecyl 2-[(2-fluorobenzoyl)amino]acetate (CID 6422555) is heptadecyl 2-[(2-fluorobenzoyl)amino]acetate.
What is the SMILES notation for heptadecyl 2-[(2-fluorobenzoyl)amino]acetate?
The canonical SMILES for heptadecyl 2-[(2-fluorobenzoyl)amino]acetate is CCCCCCCCCCCCCCCCCOC(=O)CNC(=O)c1ccccc1F.
What is the InChIKey of heptadecyl 2-[(2-fluorobenzoyl)amino]acetate?
The InChIKey is ZHQYGACLHPPHTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H42FNO3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-18-21-31-25(29)22-28-26(30)23-19-16-17-20-24(23)27/h16-17,19-20H,2-15,18,21-22H2,1H3,(H,28,30).
What are the key properties of heptadecyl 2-[(2-fluorobenzoyl)amino]acetate?
heptadecyl 2-[(2-fluorobenzoyl)amino]acetate has a molecular weight of 435.62 g/mol, XLogP of 6.97, 19 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for heptadecyl 2-[(2-fluorobenzoyl)amino]acetate is sourced from PubChem (CID 6422555), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).